1,2-difluoro-4-iodo-5-nitrobenzene

• ChemBase ID: 284271
• Molecular Formular: C6H2F2INO2
• Molecular Mass: 284.9868564
• Monoisotopic Mass: 284.90983275
• SMILES: c1([N+](=O)[O-])cc(c(cc1I)F)F
• Canonical SMILES: [O-][N+](=O)c1cc(F)c(cc1I)F
• InChI: InChI=1S/C6H2F2INO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H
• InChIKey: NSXSBCUQHFDQSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-difluoro-4-iodo-5-nitrobenzene
• IUPAC Traditional name: 1,2-difluoro-4-iodo-5-nitrobenzene
• Synonyms: 1,2-difluoro-4-iodo-5-nitrobenzene

Database IDs

• MDL Number: MFCD20502111
• PubChem SID: 180669802
• PubChem CID: 23223621

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1275783
• LogD (pH = 7.4): 3.1275783
• Log P: 3.1275783
• Molar Refractivity: 47.178 cm^3
• Polarizability: 17.46745 Å^3
• Polar Surface Area: 45.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.224

Product Information

• Purity: 95%